2-[2-(2-aminoethoxy)ethenylamino]acetic acid;hydrochloride

C6H13ClN2O3 — CID 118797410

IUPAC2-[2-(2-aminoethoxy)ethenylamino]acetic acid;hydrochloride
SMILESCl.NCCOC=CNCC(=O)O
InChIInChI=1S/C6H12N2O3.ClH/c7-1-3-11-4-2-8-5-6(9)10;/h2,4,8H,1,3,5,7H2,(H,9,10);1H
InChIKeyQYGWWFZUJJVZTD-UHFFFAOYSA-N
MW196.63 g/mol
LogP-0.47
Rot. Bonds6

About 2-[2-(2-aminoethoxy)ethenylamino]acetic acid;hydrochloride

2-[2-(2-aminoethoxy)ethenylamino]acetic acid;hydrochloride (PubChem CID 118797410) has the molecular formula C6H13ClN2O3 and a molecular weight of 196.63 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethenylamino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethenylamino]acetic acid;hydrochloride
PubChem CID118797410
Molecular FormulaC6H13ClN2O3
Molecular Weight196.63 g/mol
Exact Mass196.06
IUPAC Name2-[2-(2-aminoethoxy)ethenylamino]acetic acid;hydrochloride
SMILESCl.NCCOC=CNCC(=O)O
InChIInChI=1S/C6H12N2O3.ClH/c7-1-3-11-4-2-8-5-6(9)10;/h2,4,8H,1,3,5,7H2,(H,9,10);1H
InChIKeyQYGWWFZUJJVZTD-UHFFFAOYSA-N
XLogP-0.47
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethenylamino]acetic acid;hydrochloride?
The IUPAC name of 2-[2-(2-aminoethoxy)ethenylamino]acetic acid;hydrochloride (CID 118797410) is 2-[2-(2-aminoethoxy)ethenylamino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethenylamino]acetic acid;hydrochloride?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethenylamino]acetic acid;hydrochloride is Cl.NCCOC=CNCC(=O)O.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethenylamino]acetic acid;hydrochloride?
The InChIKey is QYGWWFZUJJVZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3.ClH/c7-1-3-11-4-2-8-5-6(9)10;/h2,4,8H,1,3,5,7H2,(H,9,10);1H.
What are the key properties of 2-[2-(2-aminoethoxy)ethenylamino]acetic acid;hydrochloride?
2-[2-(2-aminoethoxy)ethenylamino]acetic acid;hydrochloride has a molecular weight of 196.63 g/mol, XLogP of -0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethenylamino]acetic acid;hydrochloride is sourced from PubChem (CID 118797410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).